4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline

C20H21N3O — CID 171998224

IUPAC4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
SMILESCc1cc(N2CCC(COc3ccncc3)C2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-15-12-20(22-19-5-3-2-4-18(15)19)23-11-8-16(13-23)14-24-17-6-9-21-10-7-17/h2-7,9-10,12,16H,8,11,13-14H2,1H3
InChIKeyHZTRLHLFDIHLQU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.84
Rot. Bonds4

About 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline

4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline (PubChem CID 171998224) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
PubChem CID171998224
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
SMILESCc1cc(N2CCC(COc3ccncc3)C2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-15-12-20(22-19-5-3-2-4-18(15)19)23-11-8-16(13-23)14-24-17-6-9-21-10-7-17/h2-7,9-10,12,16H,8,11,13-14H2,1H3
InChIKeyHZTRLHLFDIHLQU-UHFFFAOYSA-N
XLogP3.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline?
The IUPAC name of 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline (CID 171998224) is 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline is Cc1cc(N2CCC(COc3ccncc3)C2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline?
The InChIKey is HZTRLHLFDIHLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-12-20(22-19-5-3-2-4-18(15)19)23-11-8-16(13-23)14-24-17-6-9-21-10-7-17/h2-7,9-10,12,16H,8,11,13-14H2,1H3.
What are the key properties of 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline?
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline has a molecular weight of 319.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 171998224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).